%chk=000134325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000134325

1 1
S -2.697052 -1.586620 0.798851
O -0.659232 -4.094294 -0.707711
O -1.492613 -3.230601 1.211321
N -2.759497 0.893885 0.217139
N 1.828665 -0.172985 1.336549
N 0.294554 4.522366 0.055690
N 0.643023 2.844387 1.759863
N -1.698568 4.681879 -1.163895
C -2.151540 0.272680 -0.901979
C -2.073060 -1.099491 -0.745304
C 1.879533 -2.367001 0.697358
C 1.900970 -3.852091 0.722240
C -1.498714 -2.041570 -1.727307
C 1.951222 -1.552274 -0.492283
C -2.857415 2.375069 0.411150
C 0.601338 -4.467803 1.269761
C 1.921126 -0.181051 -0.063564
C -1.757240 -3.523208 -1.484236
C -3.145497 0.006888 1.171148
C 1.820971 -1.506298 1.787196
C -1.656997 1.041657 -2.061427
C -1.500180 2.964457 0.618478
C 2.065158 -1.837105 -1.867579
C -0.608200 -3.860487 0.628803
C 1.982993 0.887441 -0.983553
C 2.121431 -0.785214 -2.764066
C -0.993864 4.060377 -0.137823
C 2.083123 0.565542 -2.324201
C -0.622773 2.416785 1.579946
C 1.078770 3.906247 0.979961
C 2.463290 4.399580 1.181808
H 2.094850 -4.247854 -0.300054
H 2.755281 -4.209497 1.341605
H -1.859270 -1.776242 -2.752411
H -0.383821 -1.877531 -1.779265
H -3.513860 2.582378 1.293659
H -3.380656 2.807301 -0.475830
H 0.536024 -4.318763 2.372424
H 0.609592 -5.570120 1.108461
H -1.668336 -4.119583 -2.418126
H -2.716311 -3.754033 -0.990752
H -3.641611 0.289937 2.099422
H 1.777320 -1.744119 2.837059
H -1.894597 2.115855 -2.042107
H -2.056281 0.648797 -3.012559
H -0.549751 0.975985 -2.129745
H 1.844694 0.649014 1.922717
H 2.124073 -2.871061 -2.204456
H 1.984581 1.917507 -0.641781
H 2.226312 -0.980662 -3.830957
H 2.158010 1.357373 -3.070704
H -0.945516 1.587366 2.225575
H -2.703938 4.739172 -1.104130
H -1.263750 5.500451 -1.592621
H 2.780842 5.101402 0.389645
H 3.197435 3.577538 1.221667
H 2.552662 4.940446 2.142931


%chk=000134325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134325

1 1
S -3.375458 -1.329088 0.627846
O -0.669359 -4.083000 -0.265351
O -1.542926 -3.225957 1.711936
N -2.741621 1.010107 -0.285586
N 2.100422 0.048466 0.831645
N 0.037846 4.866274 1.136356
N 0.858619 2.604136 1.376753
N -1.985186 5.373070 0.115154
C -2.125271 0.117318 -1.206202
C -2.355810 -1.212176 -0.873099
C 2.002097 -2.227218 0.542809
C 1.961209 -3.714578 0.818599
C -1.928743 -2.426258 -1.662103
C 2.050374 -1.594182 -0.764384
C -2.586042 2.494102 -0.344389
C 0.747774 -4.160218 1.685719
C 2.118392 -0.167833 -0.548697
C -1.947747 -3.803785 -0.965427
C -3.439076 0.410101 0.704991
C 2.028083 -1.189048 1.481841
C -1.360242 0.638911 -2.387496
C -1.319891 2.996234 0.334008
C 2.054138 -2.087490 -2.098976
C -0.589343 -3.762242 1.098271
C 2.220532 0.754044 -1.617452
C 2.140205 -1.171078 -3.167417
C -1.099386 4.404685 0.522111
C 2.232196 0.234879 -2.928860
C -0.290854 2.154119 0.788523
C 0.974838 3.966960 1.541914
C 2.210587 4.487042 2.222398
H 1.935079 -4.265281 -0.137039
H 2.878205 -4.042406 1.344702
H -2.582467 -2.496561 -2.556234
H -0.899381 -2.260874 -2.036841
H -3.486790 2.929729 0.129909
H -2.610260 2.780521 -1.413246
H 0.796666 -3.726443 2.698001
H 0.762568 -5.262656 1.795052
H -1.999524 -4.593038 -1.730365
H -2.790515 -3.923779 -0.259454
H -3.935249 0.953324 1.505733
H 2.015740 -1.241692 2.569767
H -2.032109 1.106066 -3.132075
H -0.818220 -0.176923 -2.888019
H -0.593503 1.374274 -2.088264
H 1.999860 0.982333 1.271626
H 2.022413 -3.165253 -2.296501
H 2.328338 1.829093 -1.434598
H 2.176013 -1.540624 -4.198302
H 2.341751 0.917192 -3.779397
H -0.356885 1.065141 0.680097
H -2.849065 5.181205 -0.384345
H -1.731555 6.343076 0.306832
H 2.274553 5.579303 2.117844
H 3.114848 4.014356 1.802573
H 2.186835 4.235825 3.299112


